Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 5/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | HCN4 | Q9Y3Q4 | 1/20 | 0.37 |
| ▸ | NQO2 | P16083 | 1/20 | 0.37 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.37 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 2/20 | 0.37 |
| ▸ | HTR2B | P41595 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL7911834 | 0.92 | CYP3A4 (0.43) | HTR2ACHRM2HTR1ASLC6A4DRD3 | |
| SCHEMBL7436614 | 0.92 | CYP3A4 (0.43) | HTR2ACHRM2HTR1ASLC6A4DRD3 | |
| SCHEMBL31936524 | 0.92 | CYP3A4 (0.43) | HTR2ACHRM2HTR1ASLC6A4DRD3 | |
| SCHEMBL383341 | 0.92 | CYP3A4 (0.43) | HTR2ACHRM2HTR1ASLC6A4DRD3 | |
| SCHEMBL31549 | 0.92 | CYP3A4 (0.43) | HTR2ACHRM2HTR1ASLC6A4DRD3 | |
| Hydrochloric Acid SCHEMBL30081991 | 0.90 | MAOA (0.42) | HTR2ACHRM2HTR1ASLC6A4DRD3 | |
| Hydrochloric Acid SCHEMBL9427970 | 0.90 | MAOA (0.42) | HTR2ACHRM2HTR1ASLC6A4DRD3 | |
| Hydrochloric Acid SCHEMBL384338 | 0.90 | MAOA (0.42) | HTR2ACHRM2HTR1ASLC6A4DRD3 | |
| Hydrochloric Acid SCHEMBL7274416 | 0.90 | MAOA (0.42) | HTR2ACHRM2HTR1ASLC6A4DRD3 | |
| SCHEMBL3163151 | 0.81 | TAAR1 (0.41) | HTR2ACHRM2HTR1ASLC6A4DRD3 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2566850-B1 | INDUSTRIAL PROCESS FOR THE SYNTHESIS OF IVABRADINE HYDROBROMIDE SALT | RICHTER GEDEON NYRT (HU) | 2018-04-11 | — | — | EP | disclosed |